4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione

Formula:C17H11N4BrCl2S Mutagenic:high Tumorigenic:low Reproductive Effective:high 4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione is not a drug-like molecule.

MolName	4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C17H11N4BrCl2S
Smiles	S=C(NN=C1c(ccc(Cl)c2)c2Cl)N1/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C17H11BrCl2N4S/c18-12(8-11-4-2-1-3-5-11)10-21-24-16(22-23-17(24)25)14-7-6-13(19)9-15(14)20/h1-10H,(H,23,25)
InChIK	CDBJDCXPJGIOAM-UHFFFAOYSA-N
TotalMolweight	454.178
Molweight	454.178
MonoisotopicMass	451.926481
CLogP	5.1179
CLogS	-7.048
H Acceptors	4
H Donors	1
TotalSurfaceArea	295.9
Relative PSA	0.22315
PolarSurfaceArea	72.08
Druglikeness	-1.4696
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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1 - 4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione | 2 - 4-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2,4-dichlorophenyl)-1H-1,2,4-triazole-5-thione

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